2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

C34H23F2N3 — CID 135247175

IUPAC2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C34H23F2N3/c35-34(36)29-20-25(22-10-4-1-5-11-22)16-18-27(29)28-19-17-26(21-30(28)34)33-38-31(23-12-6-2-7-13-23)37-32(39-33)24-14-8-3-9-15-24/h1-21,31H,(H,37,38,39)
InChIKeyBBZWNTLLWVLKEM-UHFFFAOYSA-N
MW511.58 g/mol
LogP7.97
Rot. Bonds4

About 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine

2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 135247175) has the molecular formula C34H23F2N3 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID135247175
Molecular FormulaC34H23F2N3
Molecular Weight511.58 g/mol
Exact Mass511.19
IUPAC Name2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESFC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C34H23F2N3/c35-34(36)29-20-25(22-10-4-1-5-11-22)16-18-27(29)28-19-17-26(21-30(28)34)33-38-31(23-12-6-2-7-13-23)37-32(39-33)24-14-8-3-9-15-24/h1-21,31H,(H,37,38,39)
InChIKeyBBZWNTLLWVLKEM-UHFFFAOYSA-N
XLogP7.97
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 135247175) is 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is FC1(F)c2cc(C3=NC(c4ccccc4)N=C(c4ccccc4)N3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is BBZWNTLLWVLKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F2N3/c35-34(36)29-20-25(22-10-4-1-5-11-22)16-18-27(29)28-19-17-26(21-30(28)34)33-38-31(23-12-6-2-7-13-23)37-32(39-33)24-14-8-3-9-15-24/h1-21,31H,(H,37,38,39).
What are the key properties of 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 511.58 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-difluoro-7-phenylfluoren-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 135247175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).